methyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate

C9H8ClN3O2 — CID 22313263

IUPACmethyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cc(Cl)c(N)n2ccnc12
InChIInChI=1S/C9H8ClN3O2/c1-15-9(14)5-4-6(10)7(11)13-3-2-12-8(5)13/h2-4H,11H2,1H3
InChIKeyKTJZCSZDDPEPKY-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.36
Rot. Bonds1

About methyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate

methyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 22313263) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is methyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID22313263
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Namemethyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cc(Cl)c(N)n2ccnc12
InChIInChI=1S/C9H8ClN3O2/c1-15-9(14)5-4-6(10)7(11)13-3-2-12-8(5)13/h2-4H,11H2,1H3
InChIKeyKTJZCSZDDPEPKY-UHFFFAOYSA-N
XLogP1.36
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-chloroimidazo[1,2-a]pyridine-7-carboxylate
CID 146193908
methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate
CID 155128992
4,5-dichloro-2-methoxycarbonylbenzoate
CID 71345963
methyl imidazo[1,2-b]pyridazine-8-carboxylate
CID 141364137
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
methyl 5-amino-2-chlorobenzoate
CID 5200412
methyl 3-amino-4,5-dichloro-2-hydroxybenzoate
CID 23046751
methyl 5-amino-3-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]benzoate
CID 107195524
methyl 4-amino-5-chloro-2-prop-2-enoxybenzoate
CID 14883224
methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636559
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
methyl 3-amino-2-(3,4,5-trichlorophenyl)pyridine-4-carboxylate
CID 134636195

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate (CID 22313263) is methyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cc(Cl)c(N)n2ccnc12.
What is the InChIKey of methyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is KTJZCSZDDPEPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-15-9(14)5-4-6(10)7(11)13-3-2-12-8(5)13/h2-4H,11H2,1H3.
What are the key properties of methyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate?
methyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 225.64 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 22313263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).